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Substance Name: Benzyl cinnamate
RN: 103-41-3
UNII: V67O3RO97U
InChIKey: NGHOLYJTSCBCGC-VAWYXSNFSA-N
Classification Codes
- Natural Product
- Skin / Eye Irritant
Molecular Formula
- C16-H14-O2
Molecular Weight
- 238.2846
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
- Benzyl cinnamate
- Cinnamein
- Phenylmethyl 3-phenyl-2-propenoate
Synonyms
- 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
- 3-Phenyl-2-propenoic acid phenylmethyl ester
- AI3-01268
- Benzyl 3-phenylpropenoate
- Benzyl alcohol, cinnamate
- Benzyl alcohol, cinnamic ester
- Benzyl cinnamate
- Benzyl gamma-phenylacrylate
- Benzyl-3-phenylpropenoate
- Benzylcinnamate
- Benzylcinnamoate
- Benzylester kyseliny skoricove
- Benzylester kyseliny skoricove [Czech]
- Cinnamein
- EINECS 203-109-3
- FEMA No. 2142
- HSDB 359
- NSC 11780
- Phenylmethyl 3-phenyl-2-propenoate
- trans-Cinnamic acid benzyl ester
- UNII-V67O3RO97U
Systematic Names
- 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
- Benzyl cinnamate
- Cinnamic acid, benzyl ester
Superlist Name
- Benzyl cinnamate
Registry Numbers
CAS Registry Number
- 103-41-3
FDA UNII
- V67O3RO97U
Other Registry Number
- 8014-16-2
System Generated Number
- 0000103413
Structure Descriptors
InChI
InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+InChIKey
NGHOLYJTSCBCGC-VAWYXSNFSA-NSmiles
O=C(OCc1ccccc1)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 3760mg/kg (3760mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: GASTRITIS | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| rat | LD50 | oral | 5530mg/kg (5530mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 39 | deg C | EXP | |
| Boiling Point | 350 | deg C | EXP | |
| log P (octanol-water) | 4.060 | (none) | EST | |
| Water Solubility | 9.270 | mg/L | 25 | EST |
| Henry's Law Constant | 3.34E-07 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.79E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.